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188347-49-1 | Benzeneacetic acid, 3,5-dibromo-
CAS No: 188347-49-1 Catalog No: AG002GU9 MDL No:MFCD07787513
Product Description
Catalog Number:
AG002GU9
Chemical Name:
Benzeneacetic acid, 3,5-dibromo-
CAS Number:
188347-49-1
Molecular Formula:
C8H6Br2O2
Molecular Weight:
293.9400
MDL Number:
MFCD07787513
IUPAC Name:
2-(3,5-dibromophenyl)acetic acid
InChI:
InChI=1S/C8H6Br2O2/c9-6-1-5(3-8(11)12)2-7(10)4-6/h1-2,4H,3H2,(H,11,12)
InChI Key:
NTQNLWCPZSORSR-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cc(Br)cc(c1)Br
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.871g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.942g/mol
Monoisotopic Mass:
291.873g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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